3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide

C16H18N2O5S — CID 90594704

IUPAC3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1
InChIInChI=1S/C16H18N2O5S/c1-22-13-6-4-12(5-7-13)17-16(19)18-9-15(10-18)24(20,21)11-14-3-2-8-23-14/h2-8,15H,9-11H2,1H3,(H,17,19)
InChIKeyOXFUUBHWYLZOLU-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.12
Rot. Bonds5

About 3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide

3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide (PubChem CID 90594704) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
PubChem CID90594704
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1
InChIInChI=1S/C16H18N2O5S/c1-22-13-6-4-12(5-7-13)17-16(19)18-9-15(10-18)24(20,21)11-14-3-2-8-23-14/h2-8,15H,9-11H2,1H3,(H,17,19)
InChIKeyOXFUUBHWYLZOLU-UHFFFAOYSA-N
XLogP2.12
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide
CID 90594679
N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
CID 90594701
N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
CID 90594685
4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90590668
N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide
CID 90590653
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 90594579
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-(4-methylphenyl)methanone
CID 90594657
3-(benzenesulfonyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90585047
(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 71808871
[(3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidin-1-yl]-[4-(2-methoxyethoxy)phenyl]methanone
CID 99873509
4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221172
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide (CID 90594704) is 3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide is COc1ccc(NC(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1.
What is the InChIKey of 3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide?
The InChIKey is OXFUUBHWYLZOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-22-13-6-4-12(5-7-13)17-16(19)18-9-15(10-18)24(20,21)11-14-3-2-8-23-14/h2-8,15H,9-11H2,1H3,(H,17,19).
What are the key properties of 3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide?
3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 90594704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).